Geometry & MOs

Info

ID:	23000
PubChem CID:	600748
Reduced:	FNSO3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	317.052193
ΔH_f, kcal/mol:	-98.07
Dipole, Da:	3.51
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1C(=O)N(C(S1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations